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Molecular dynamics study of structure and glass forming ability of Zr70Pd30 alloy

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Abstract

In this study, the temperature effects on the structural evolution of the Zr70Pd30 binary alloy in the glassy and liquid states were studied using the molecular dynamics simulations based on the many-body type tight-binding potential. We considered the following properties in detail: the temperature dependence of the volume, the partial and total pair distribution functions and the simulated glass transition temperature. The effects of the cooling rates on the glass transition temperature were examined. The Wendt-Abraham parameter was calculated to determine the glass transition temperature of Zr70Pd30 glassy alloy. The pair analysis technique of Honeycutt-Andersen was applied to define local atomic arrangements produced from molecular dynamics simulations. The results show that the icosahedral ordering in glassy state has been composed during quenching period, and the simulated glass transition temperature and the total pair distribution functions are in good agreement with the experimental data.

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Authors and Affiliations

  1. University of Trakya, Faculty of Education, 22050, Edirne, Turkey

    Murat Celtek

  2. University of Trakya, Faculty of Science, Department of Physics, 22030, Edirne, Turkey

    Sedat Sengul & Unal Domekeli

  3. University of Trakya, Edirne Vocational College of Technical Science, 22020, Edirne, Turkey

    Cem Canan

Authors
  1. Murat Celtek
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  2. Sedat Sengul
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  3. Unal Domekeli
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  4. Cem Canan
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Correspondence to Murat Celtek.

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Celtek, M., Sengul, S., Domekeli, U. et al. Molecular dynamics study of structure and glass forming ability of Zr70Pd30 alloy. Eur. Phys. J. B 89, 65 (2016). https://doi.org/10.1140/epjb/e2016-60694-5

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  • DOI: https://doi.org/10.1140/epjb/e2016-60694-5

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